Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018097

Phytochemical name: 4-[3-Ethoxypropylamino]benzo-1,2,3-triazine

Synonymous chemical names:
4-[3-Ethoxypropylamino]benzo-1,2,3-triazine

External chemical identifiers:
CID:CID_534832

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Chemical structure information

SMILES:
CCOCCCNc1nnnc2c1cccc2

InChI:
InChI=1S/C12H16N4O/c1-2-17-9-5-8-13-12-10-6-3-4-7-11(10)14-16-15-12/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14,15)

InChIKey:
QJIJVTGVVHURKY-UHFFFAOYSA-N

DeepSMILES:
CCOCCCNcnnncc6cccc6

Functional groups:
COC, cNC, cnnnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2nnncc2c1

Scaffold Graph/Node level:
C1CCC2NNNCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzo-1,2,3-triazines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.456

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Chemical structure download